2-(5-methyl-3-pyridinyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione

C15H19N3O2 — CID 107587003

IUPAC2-(5-methyl-3-pyridinyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
SMILESCc1cncc(N2CCC(=O)N3CCCCC3C2=O)c1
InChIInChI=1S/C15H19N3O2/c1-11-8-12(10-16-9-11)17-7-5-14(19)18-6-3-2-4-13(18)15(17)20/h8-10,13H,2-7H2,1H3
InChIKeyWLSSBEOCQWTJEH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.51
Rot. Bonds1

About 2-(5-methyl-3-pyridinyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione

2-(5-methyl-3-pyridinyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione (PubChem CID 107587003) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(5-methyl-3-pyridinyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione.

Molecular Properties

Compound Name2-(5-methyl-3-pyridinyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
PubChem CID107587003
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(5-methyl-3-pyridinyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
SMILESCc1cncc(N2CCC(=O)N3CCCCC3C2=O)c1
InChIInChI=1S/C15H19N3O2/c1-11-8-12(10-16-9-11)17-7-5-14(19)18-6-3-2-4-13(18)15(17)20/h8-10,13H,2-7H2,1H3
InChIKeyWLSSBEOCQWTJEH-UHFFFAOYSA-N
XLogP1.51
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylphenyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79945097
2-(3,5-dimethylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929753
2-(3-chlorophenyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 79932641
2-(3-iodophenyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 79931743
3-bromo-1-(5-methyl-3-pyridinyl)piperidin-2-one
CID 107586843
2-(4-bromo-3-methylphenyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944757
2-(3-bromo-4-methylphenyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79945137
2-(3,4,5-trifluorophenyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79923829
3-(2-methylpropyl)-1-(5-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione
CID 107587031
2-(5-fluoro-2-methylphenyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 79916215
2-(3-ethylphenyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944180
2-(5-chloro-2-fluorophenyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 79918996

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-pyridinyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione?
The IUPAC name of 2-(5-methyl-3-pyridinyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione (CID 107587003) is 2-(5-methyl-3-pyridinyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione.
What is the SMILES notation for 2-(5-methyl-3-pyridinyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione?
The canonical SMILES for 2-(5-methyl-3-pyridinyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione is Cc1cncc(N2CCC(=O)N3CCCCC3C2=O)c1.
What is the InChIKey of 2-(5-methyl-3-pyridinyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione?
The InChIKey is WLSSBEOCQWTJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-8-12(10-16-9-11)17-7-5-14(19)18-6-3-2-4-13(18)15(17)20/h8-10,13H,2-7H2,1H3.
What are the key properties of 2-(5-methyl-3-pyridinyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione?
2-(5-methyl-3-pyridinyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione has a molecular weight of 273.34 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-pyridinyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione is sourced from PubChem (CID 107587003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).